CID 54680568

52851-60-2

Structural Information

Molecular Formula
C14H15NO4
SMILES
CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)OCC)O
InChI
InChI=1S/C14H15NO4/c1-3-15-10-8-6-5-7-9(10)12(16)11(13(15)17)14(18)19-4-2/h5-8,16H,3-4H2,1-2H3
InChIKey
GRZFSZJGKIUBQW-UHFFFAOYSA-N
Compound name
ethyl 1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

34
Patents

261.1001 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10738 156.0
[M+Na]+ 284.08932 165.9
[M-H]- 260.09282 158.6
[M+NH4]+ 279.13392 172.4
[M+K]+ 300.06326 162.7
[M+H-H2O]+ 244.09736 149.1
[M+HCOO]- 306.09830 176.1
[M+CH3COO]- 320.11395 195.6
[M+Na-2H]- 282.07477 160.4
[M]+ 261.09955 160.3
[M]- 261.10065 160.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe